Professional Documents
Culture Documents
Conversion, X
A + B C + D (REACTION 1)
C + B E + D (REACTION 2)
Where:
A is methanol
B is oxygen
C is formaldehyde
D is water
E is carbon monoxide
I is nitrogen inert gas
2) MOLE BALANCE
dFA
rA
dW
dFB
rB
dW
dFC
rC
dW
dFD
rD
dW
dFE
rE
dW
dFF
rF
dW
3) RATE LAWS
0.75
y 0.75
m
0.5
(1+ y 0.75
m )
Where
rA1
r
r
r
= B1 = C 1 = D 1
1 1/2 1
1
reaction2=
rC 2
r
r
r
= B 2 = E 2 = D2
1 1 /2 1
1
r ' A =r ' A 1
r ' B =r ' B 1 +r ' B 2
r ' C =r ' C 1+r ' C 2
r ' D=r ' D 1 +r ' D 2
r ' E=r ' E 1
To evaluate the partial pressure of methanol, ideal gas law is needed in which:
pA CA . R.T
where:
5) STOICHIOMETRY
For the gas phase, the concentration can be found as follow:
Ci CT 0 (
CA CT 0 .(
FA T0 P
).( ).( )
FT T P0
CB CT 0 .(
FB T0 P
).( ).( )
FT T P0
CC CT 0 .(
FC T0 P
).( ).( )
FT T P0
CD CT 0 .(
FD T0 P
).( ).( )
FT T P0
CE CT 0 .(
FE T0 P
).( ).( )
FT T P0
CI CT 0 .(
kmole
)
m3
Therefore,
FT T0 P
).( ).( )
FT 0 T P0
FI T0 P
).( ).( )
FT T P0
Then, the inlet pressure P0 is 1.5 atm where the following parameters mean:
C T 0=
P0
=
R T 0
152kPa
kmol
=0.03865 3
3
m
m
8.314 kPa.
(473 K )
kmolK
yA 0
FA 0
FT 0
CA 0 y A 0 * CT 0
y 0.75
36785.728 0.75
m
r ' 1=0.282 exp(
)P
0.5
RT
(1+ y 0.75
m )
r ' 2=3.001 exp(
Methanol (A):
66412.632
)P f
RT
dF A
=r ' A 1
dW
dF B '
=r B 1 +r ' B 2
dW
Oxygen (B):
Formaldehyde (C):
Water (D):
dFC
=r ' C1 +r ' C 2
dW
dF D
=
dW
r ' D 1+ r ' D 2
dF E
=r ' E 1
dW
6) COMBINATION
METHANOL (A)
dF A
y 0.75
36785.728 0.75
m
=0.282 exp(
)P
0.5
dW
RT
(1+ y 0.75
m )
OXYGEN (B)
0.75
dF B 1
ym
36785.728 0.75
1
66412.632
= 0.282 exp(
)P
+ 3.001 exp(
)P f
0.75 0.5
dW 2
RT
2
RT
(1+ y m )
]
5
FORMALDEHYDE (C)
dFC
y 0.75
36785.728 0.75
66412.632
m
=0.282 exp(
)P
+3.001 exp(
) Pf
0.75 0.5
dW
RT
RT
(1+ y m )
WATER (D)
0.75
dF D
ym
36785.728 0.75
66412.632
=0.282 exp(
)P
+3.001 exp(
)P f
0.75 0.5
dW
RT
RT
(1+ y m )
CONVERSION EQUATION
Conversion
FA 0 FA
FA 0
LEVEL 1: DECISION
For the process synthesis and flow sheeting, this process is worth continuous
mode. The reasons of this decision are mainly based on the capacity and the nature of the
reaction. This process produces around 30,000 MTPA of formaldehyde and the raw materials
are only two, which is methanol and oxygen. The reactions are not too complex that would
not require the use of well-controlled batch reactors. The demand is considerably consistent
and do not change much with years as it is free from any seasonal difficulties.
At this level, the mole balance would be equated in algebraic terms and calculated
through the outmost boundary of the plant as can be seen in Figure 2.1 along with the gross
profitability analysis.
ECONOMIC POTENTIAL 1
CH3OH + O2 CH2O + H2O
CH2O + O2 CO + H2O
The reactions need to be conducted with the Fe-Mo oxide catalyst. Based on the
stoichiometry of equation above, for 30,000 MTPA formaldehyde, at least 30,000 MTPA of
methanol and 15,000 MTPA of oxygen gas are required for as the raw material. The
production of side product CO and the price of catalyst needed can be neglected at this level
as compared to other species. The prices of products and raw materials based on their
available purities in global market are listed in Table 1
Components
Price
Methanol
Formaldehyde
RM 1300/MT
RM 6827 /MT
30,000
MT
RM 6827
MT
RM 1300
formaldehyde
30,000
methanol
year
MT
year
MT
= RM2048810000/year RM39000000/year
= RM2009810000/year
CH2O
CH3OH
O2 +
N2
Process
CO, O2, N2
H 2O
Analysis of mole balance follows the extent of reaction method. The symbols 1 and 2 are
used to denote the extents of reaction for the first and second reactions (Eq. 1.1), respectively.
The mole balance of all chemical species is generally computed using the correlation as
follows:
n i =n0 + i 1
where
n i
is molar flow rate of the species i and I is the stoichiometric coefficient. Hence,
the final flow rate from Figure 3.1 can be summarised as in Table 3.1.
Species
Formaldehyde
Methanol
Water
Oxygen
Carbon Monoxide
Inlet
0
FM
0
FO2
0
Change
1 - 2
-1
1 + 2
-1/21 1/22
2
Outlet
PF
0
PH2O
PO2
PCO
2 Independent reactions
+2
-5
ratio of O2: N2
-1
The remaining information is obtained from the calculation in the mole balance which
included a recycle stream. The x is being optimised based on the EP2.
10
PF
Y
(3.1)
Given the composition of the fed methanol is 95% methanol and 5% water, hence
F H 2O =
0.05
F
0.95 FM
(3.2)
1
(1.3)
4
(3.4)
=0.325
In this level we need to consider the recycle stream of the valuable materials. In this case, it
happened to be methanol. Therefore,
FM = FFM + FM (1- x)
11
F M=
F FM
x
(3.5)
Instead of pure oxygen, air is chosen as the source for the oxygen as air is easily accessible
and cheap compare to pure oxygen. Hence, whenever air is used the composition of oxygen
in the air needed to be considered. The composition of oxygen in air is 21% while the other
79% is Nitrogen. So,
F N 2=
0.21
F
0.79 O 2
(3.6)
The product flow for water is obtained based on the probability flow chart above which
formed by combining of both equation, where x is assumed to be 1.
1
2
PH2O = FH2O +
(3.7)
The same method is used to determine the product flow of hydrogen, oxygen and carbon
dioxide,
PH2 =
1
2
FFMY
(3.8)
PO2= FO2 +
1
4
FFMY +
5
2
FFM (1-Y)
(3.9)
PCO2 = + 2FFM (1-Y)
(3.10)
The nitrogen is the process is inert hence
12
PN2 = FN2
(3.11)
3.3
Economic Potential 2
In this level 2, the economic potential is calculated based on the product flow from the outlet
and fed flow in the inlet. The price of the particular materials and selling price of products are
taken from Table 1. The utility cost is relatively small amount which will only cause a very
minor change; hence the utility cost is neglected at this phase. (Note: the unit used here is
kmol/yr and $/kmol)
Economic Potential 2 = Revenue Raw Material Cost Utility cost
EP 2=(P f x price of formaldehyde)(
Pf =0.2861875
Pf
x price of methanol )
Y
kmol
kg
kg 86400 s
1ton
x 32
=9.158 x
x
s
kmol
s 1 year 1000 kg
791.2512ton/ year
13
Ep2
5000000
4000000
3000000
Ep2
2000000
1000000
0
0
0.2
0.4
0.6
0.8
1.2
The optimum conversion from this graph is around 0 to 0.2 as the economic potential is quite
high and the conversion is not low to have a food flow rate. Figure 3.2 shows the result of
economic potential for the production of formaldehyde. All range of conversion yields
positive potential and the minimum is RM426,000/ton at X almost equal to 1. The highest
profit is indicated by the Xm=0 with RM435,700/ton.
As this economic potential is the annual profit that does not have to pay anything for capital
costs and utilities costs, all the analyses are just catering the sale of products (including by
products) and the purchasing of raw materials. The next level of decisions would use the
range obtained from this level.
14
LEVEL 3
Block Flow Diagram
Methanol is being
recycled
FM
F M =F M (1 X M )
Po P N Pco
Purge
FM
Po
PN
Methanol
Pco
REACTOR
Aq.Formaldehy
de
SEPARATOR
feed,
F FM
FF
Air:
FM
Fo
FH
FN
Water,
FH
At the third level, the recycle stream is focused including the reactor.
Mole Balance (Degree of freedom)
Unknown variable (
Balance (
FM , FM , FM
0
F M + F M =F M
1
-1
FF
F
=
M
From the 2 level (
Y )
-1
nd
Specified variables (
F M =F M (1X M )
1
15
X against T
4.00E-01
3.50E-01
3.00E-01
2.50E-01
2.00E-01
1.50E-01
1.00E-01
5.00E-02
0.00E+00
f(x) = 0x + 0.01
R = 1
x
Linear (x)
The plotting above shows that the temperature is increasing due to the exothermic of the
reaction. When the temperature of the entering feed is higher, the conversion will be higher.
In this case, adiabatic condition and packed bed reactor are preferable for this reaction.
Component
3
B* 10
6
C* 10
Methanol
2.211
12.216
-3.45
Oxygen
3.639
0.506
Formaldehyde
(Formalin)
Water Vapour
2.264
7.022
3.470
1.450
0.121
Carbon
Monoxide
Nitrogen
3.376
0.557
-0.031
3.280
0.593
0.040
5
D* 10
-0.227
-1.877
16
Cp
= A+ BT +C T 2 + DT 2
R
(Retrived from Chemical Engineering Thermodynamic Book)
The heat capacity of the substances is needed to calculate the energy balance by using
Polymath. The graph of reactor temperature versus methanol conversion is obtained.
In using ODE of polymath, only one dependant variable is allowed. For the batch reactor
design algorithm, the variable involve is time. The batch reactor algorithm is used here
because the temperature is plotted against conversion and not against the reactor size variable
such as retention time, volume, or weight of the catalyst.
Levenspiel Plot
1/-rA against XA
200
1/-rA 100
1/-rA
Linear (1/-rA)
0
0
0.1
0.2
0.3
0.4
XA
17
M, O2,
N2
dX
dW
and
dy
dW
will be used.
dX rM X(rM ) YX(rM )
dW
FM
FFM
PF
XYkCH 2O PM k M
PF (1 PM k M )
XYkCH 2O CM RTkM
PF (1 CM RTkM )
18
dy
T
(1 X)
dW
2y
T0
1Y 2 (1 Y )
y M [1Y 2 (1 Y)]
From Appendix C,
c=2200 kg/m3
3
Dp = 2.33 x 10
=0.5
gc=1
8
5
= ( 3.4 x 10 T +1.28 x 10
Pa.s@kg/m.s
G=FMo*MWM/Ac
o = 3.3786 0.0036T kg/m3
4
Ac=r2=3.46 10
m2
Po=1.5 atm
T= 300+273= 573K
Thus,
=
2
A c b Po
G ( 1)
150 (1)
+1.75 G
Dp
o g c D p
2
19
W against XA
14
12
10
8
W
6
4
2
0
0
0.2
0.4
0.6
0.8
1.2
XA
CR
C R=index ratio of
year of reference
purchased cost (1+ installationcost percentage)
year of design
Where index ratio can be either Chemical Engineering Plant Cost Index (CEPCI: year
1990=355.4 and year 2015=2000) or Marshall & Swift Index (M&S) and the installation cost
is referred from table installation cost for equipment as a percentage of the purchased
equipment cost.
Cost of the catalyst,
CC
RM4000/kg
Economic Potential
EP3(RM/year)= EP2 Cost of reactor installation Cost of catalyst Cost of separator
installation
20
Ep3 against X
4000000
3000000
Ep3 2000000
Ep3
Linear (Ep3)
1000000
0
0
0.2
0.4
0.6
0.8
1.2
From the graph, the EP3 is decreasing when the conversion approaching 1. Although the
conversion 0.1 provides us the highest profit but since the conversion is too low so 0.1 is not
an optimum conversion. At low conversion, the separation units will be very costly. The
optimum conversion from this graph is around 0.4 as the economic potential is quite high and
the conversion is not too low. At conversion of 0.4 the EP3 is around RM3, 800,000 per
annum. However in industrial it seems impossible to get a conversion of 0.4, hence the
optimum conversion lies between 0.4 and 0.5.
Conclusion
As a conclusion, we decide that the optimum conversion to be archived to produce 30000 MT
of Formaldehyde (formalin) per annum ranged between 0.4 and 0.5 with the reactor operating
8700 hours a year with 66 hours a year for maintenance and cleaning purpose. In order to
archive 0.4 to 0.5 of conversion, the reactor must be sized around 0.25 m 3 to 0.30m3 in
volume, with around 1.5kg of Fe-Mo (catalyst).
21
REFERENCE
http://www.academia.edu/6244446/iii_MANUFACTURE_OF_FORMALDEHYDE
_FROM_METHANOL_A_PROJECT_REPORT
4) Rousseau, F. &. (2005). Elementary Principles of Chemical Processes. Wiley.
5) Sanhoob, M. A., Al-sulami, A., Al-Shehri, F., & Al-rasheedi, S. (2012). Production
of Formaldehyde from Methanol. Integrated Final Report, 200.
APPENDIX
#mole balance
d(CA) / d(t) = rA
CA(0) = 87.5 #mol/L
d(CB) / d(t) = rB
CB(0) = 875 #mol/L
d(CC) / d(t) = rC
CC(0) = 0
d(CD) / d(t) = rD
CD(0) = 0
d(CE) / d(t) = rE
CE(0) = 0
d(CI)/d(t)= 0
CI(0)=3102.27
#rate law
23
r1prime=k1prime*P^0.75*yA^0.75/((1+yA^0.75)^0.5)
r2prime=k2prime*PF
rA=-r1prime
rB=-1/2*(r1prime+r2prime)
rC=r1prime-r2prime
rD=r1prime+r2prime
rE=r2prime
k1prime=0.282*exp(-36785.728/(R*T0))*exp(-36785.728/R*(1/T0-1/T))
k2prime=3.001*exp(-66412.632/(R*T0))*exp(-66412.632/R*(1/T0-1/T))
R=82.507
P=1.5
#Energy balance
d(T)/d(t)=((r1prime*V)*(difHrxn1)+(r2prime*V)*(difHrxn2))/
(NA*CpA+NB*CpB+NC*CpC+ND*CpD+NE*CpE+NI*CpI)
difHrxn1=-158800
difHrxn2=-238200
NA=CA*V
NB=CB*V
NC=CC*V
ND=CD*V
NE=CE*V
NI=CI*V
CpA=67.1608
CpB=32.6077
CpC=47.5222
CpD=36.0637
CpE=30.6431
CpI=30.1962
T(0)=573.15
V=1
T0=573.15
#Selectivity
S=(rC+0.00001)/(rE+0.00001)
Y=(rC)/(-rA)
yA0=CA0/(CT0)
yA=CA/CT
CT=CA+CB+CC+CD+CE+CI
CT0=CA0+CB0+CI0
PF=CC/CT*1.5
CA0=87.5 #mol/L
CB0=875 #mol/L
CI0=CB0*0.78/0.22
XA=1-CA/CA0
v0=1
t(0) = 0
t(f) = 3600
A=1/(-rA)
24
Initial value
Minimal value
Maximal value
Final value
104.1505
104.1505
131.0426
131.0426
CA
87.5
56.61014
87.5
56.61014
CA0
87.5
87.5
87.5
87.5
CB
875.
853.3399
875.
853.3399
CB0
875.
875.
875.
875.
CC
18.45957
18.45957
CD
43.32014
43.32014
CE
12.43028
12.43028
CI
3102.27
3102.27
3102.27
3102.27
10 CI0
3102.273
3102.273
3102.273
3102.273
11 CpA
67.1608
67.1608
67.1608
67.1608
25
12 CpB
32.6077
32.6077
32.6077
32.6077
13 CpC
47.5222
47.5222
47.5222
47.5222
14 CpD
36.0637
36.0637
36.0637
36.0637
15 CpE
30.6431
30.6431
30.6431
30.6431
16 CpI
30.1962
30.1962
30.1962
30.1962
17 CT
4064.77
4064.77
4086.43
4086.43
18 CT0
4064.773
4064.773
4064.773
4064.773
19 difHrxn1
-1.588E+05
-1.588E+05
-1.588E+05
-1.588E+05
20 difHrxn2
-2.382E+05
-2.382E+05
-2.382E+05
-2.382E+05
21 k1prime
0.1295431
0.1295431
0.1422172
0.1422172
22 k2prime
0.7367866
0.7367866
0.8720246
0.8720246
23 NA
87.5
56.61014
87.5
56.61014
24 NB
875.
853.3399
875.
853.3399
25 NC
18.45957
18.45957
26 ND
43.32014
43.32014
27 NE
12.43028
12.43028
28 NI
3102.27
3102.27
3102.27
3102.27
29 P
1.5
1.5
1.5
1.5
30 PF
0.0067759
0.0067759
31 R
82.507
82.507
82.507
82.507
32 r1prime
0.0096015
0.0076311
0.0096015
0.0076311
33 r2prime
0.0059088
0.0059088
34 rA
-0.0096015
-0.0096015
-0.0076311
-0.0076311
35 rB
-0.0048007
-0.0067699
-0.0048007
-0.0067699
36 rC
0.0096015
0.0017223
0.0096015
0.0017223
37 rD
0.0096015
0.0096015
0.0135399
0.0135399
38 rE
0.0059088
0.0059088
39 S
961.1493
0.2926832
961.1493
0.2926832
40 T
573.15
511.744
573.15
511.744
41 t
3600.
3600.
42 T0
573.15
573.15
573.15
573.15
43 V
1.
1.
1.
1.
44 v0
1.
1.
1.
1.
45 XA
0.3530269
0.3530269
46 Y
1.
0.2256982
1.
0.2256982
47 yA
0.0215264
0.0138532
0.0215264
0.0138532
48 yA0
0.0215264
0.0215264
0.0215264
0.0215264
Differential equations
1 d(CA)/d(t) = rA
26
2
3
4
5
6
d(CB)/d(t) = rB
d(CC)/d(t) = rC
d(CD)/d(t) = rD
d(CE)/d(t) = rE
d(CI)/d(t) = 0
d(T)/d(t) = ((r1prime*V)*(difHrxn1)+(r2prime*V)*(difHrxn2))/
7
(NA*CpA+NB*CpB+NC*CpC+ND*CpD+NE*CpE+NI*CpI)
Explicit equations
1 CT = CA+CB+CC+CD+CE+CI
2 yA = CA/CT
3 T0 = 573.15
4 R = 82.507
5 k1prime = 0.282*exp(-36785.728/(R*T0))*exp(-36785.728/R*(1/T0-1/T))
6 P = 1.5
7 PF = CC/CT*1.5
8 k2prime = 3.001*exp(-66412.632/(R*T0))*exp(-66412.632/R*(1/T0-1/T))
9 r2prime = k2prime*PF
10 r1prime = k1prime*P^0.75*yA^0.75/((1+yA^0.75)^0.5)
11 rA = -r1prime
12 difHrxn1 = -158800
13 difHrxn2 = -238200
14 V = 1
15 NA = CA*V
16 NB = CB*V
17 NC = CC*V
18 ND = CD*V
19 NE = CE*V
20 CpA = 67.1608
21 CpB = 32.6077
22 CpC = 47.5222
23 CpD = 36.0637
24 CpE = 30.6431
25 CpI = 30.1962
26 NI = CI*V
27 rB = -1/2*(r1prime+r2prime)
28 rC = r1prime-r2prime
29 Y = (rC)/(-rA)
30 CB0 = 875
mol/L
31
32
33
34
35
rE = r2prime
rD = r1prime+r2prime
CI0 = CB0*0.78/0.22
S = (rC+0.00001)/(rE+0.00001)
CA0 = 87.5
mol/L
36 CT0 = CA0+CB0+CI0
37 yA0 = CA0/(CT0)
27
38 XA = 1-CA/CA0
39 v0 = 1
40 A = 1/(-rA)
General
Total number of equations
47
40
Elapsed time
0.000 sec
Solution method
RKF_45
0.000001
0.000001
#mole balance
d(FA) / d(W) = rA
FA(0) = 0.0243
d(FB) / d(W) = rB
FB(0) = 0.243
d(FC) / d(W) = rC
FC(0) = 0
d(FD) / d(W) = rD
FD(0) = 0
d(FE) / d(W) = rE
FE(0) = 0
Y=1-1.9240*XA^0.9051
FT0=FA0+FB0+FI0
FT=FA+FB+FC+FD+FE+FI0
XA=1-(FA/FA0)
FA0=0.0243
FB0=0.243
FI0=0.78*FB0/0.22
#rate law
r1prime=k1prime*P^0.75*yA^0.75/((1+yA^0.75)^0.5)
r2prime=k2prime*PF
rA=-r1prime
rB=-1/2*(r1prime+r2prime)
rC=r1prime-r2prime
rD=r1prime+r2prime
rE=r2prime
k1prime=0.282*exp(-36785.728/(R*T0))*exp(-36785.728/R*(1/T0-1/T))
k2prime=3.001*exp(-66412.632/(R*T0))*exp(-66412.632/R*(1/T0-1/T))
R=82.507
P0=1.5
yA=FA/FT
28
PF=FC/FT*P
#Energy balance
d(T) / d(W) = ((r1prime*V)*(-difHrxn1)+(r2prime*V)*(-difHrxn2))/
(FA*CpA+FB*CpB+FC*CpC+FD*CpD+FE*CpE+FI0*CpI)
difHrxn1=-158800
difHrxn2=-238200
CpA=67.1608
CpB=32.6077
CpC=47.5222
CpD=36.0637
CpE=30.6431
CpI=30.1962
T0=573
V=1
P=y*P0
#Pressure drop
d(y) / d(W) =-alpha/2/y*T/T0*FT/FT0
y(0) = 1
alpha=2*beta/(Ac*2200*(1-0.5)*(P0*101.325))
beta=G*(1-0.5)/(rho0*1*2.33e-3*0.5^3)*(150*(1-0.5)*miu/2.33e-3+1.75*G)
Ac=3.1416*(0.021/2)^2*5000
miu=3.2282e-5
G=FA0*32/Ac
rho0=1.3158
T(0)=573
W(0)=0
W(f)=12
Initial value
Minimal value
Maximal value
Final value
Ac
1.731807
1.731807
1.731807
1.731807
alpha
0.0073848
0.0073848
0.0073848
0.0073848
beta
1069.073
1069.073
1069.073
1069.073
CpA
67.1608
67.1608
67.1608
67.1608
CpB
32.6077
32.6077
32.6077
32.6077
CpC
47.5222
47.5222
47.5222
47.5222
CpD
36.0637
36.0637
36.0637
36.0637
CpE
30.6431
30.6431
30.6431
30.6431
CpI
30.1962
30.1962
30.1962
30.1962
10 difHrxn1
-1.588E+05
-1.588E+05
-1.588E+05
-1.588E+05
11 difHrxn2
-2.382E+05
-2.382E+05
-2.382E+05
-2.382E+05
12 FA
0.0243
4.015E-08
0.0243
4.015E-08
29
13 FA0
0.0243
0.0243
0.0243
0.0243
14 FB
0.243
0.2187962
0.243
0.2187962
15 FB0
0.243
0.243
0.243
0.243
16 FC
0.0060371
0.0001923
17 FD
0.0484076
0.0484076
18 FE
0.0241076
0.0241076
19 FI0
0.8615455
0.8615455
0.8615455
0.8615455
20 FT
1.128845
1.128845
1.153049
1.153049
21 FT0
1.128845
1.128845
1.128845
1.128845
22 G
0.4490108
0.4490108
0.4490108
0.4490108
23 k1prime
0.1295167
0.1009675
0.1295167
0.1009675
24 k2prime
0.7365158
0.4698289
0.7365158
0.4698289
25 miu
3.228E-05
3.228E-05
3.228E-05
3.228E-05
26 P
1.5
1.405714
1.5
1.405714
27 P0
1.5
1.5
1.5
1.5
28 PF
0.007882
0.0002345
29 R
82.507
82.507
82.507
82.507
30 r1prime
0.0095995
3.323E-07
0.0095995
3.323E-07
31 r2prime
0.004743
0.0001102
32 rA
-0.0095995
-0.0095995
-3.323E-07
-3.323E-07
33 rB
-0.0047998
-0.0056381
-5.525E-05
-5.525E-05
34 rC
0.0095995
-0.0009761
0.0095995
-0.0001098
35 rD
0.0095995
0.0001105
0.0112763
0.0001105
36 rE
0.004743
0.0001102
37 rho0
1.3158
1.3158
1.3158
1.3158
38 T
573.
573.
842.6786
842.6786
39 T0
573.
573.
573.
573.
40 V
1.
1.
1.
1.
41 W
12.
12.
42 XA
0.9999983
0.9999983
43 Y
1.
-0.9239971
1.
-0.9239971
44 y
1.
0.9371429
1.
0.9371429
45 yA
0.0215264
3.482E-08
0.0215264
3.482E-08
Differential equations
1 d(FA)/d(W) = rA
2 d(FB)/d(W) = rB
3 d(FC)/d(W) = rC
4 d(FD)/d(W) = rD
5 d(FE)/d(W) = rE
30
d(T)/d(W) = ((r1prime*V)*(-difHrxn1)+(r2prime*V)*(-difHrxn2))/
(FA*CpA+FB*CpB+FC*CpC+FD*CpD+FE*CpE+FI0*CpI)
7 d(y)/d(W) = -alpha/2/y*T/T0*FT/FT0
6
Explicit equations
1 FA0 = 0.0243
2 FB0 = 0.243
3 FI0 = 0.78*FB0/0.22
4 XA = 1-(FA/FA0)
5 Y = 1-1.9240*XA^0.9051
6 FT0 = FA0+FB0+FI0
7 FT = FA+FB+FC+FD+FE+FI0
8 yA = FA/FT
9 P0 = 1.5
10 T0 = 573
11 R = 82.507
12 P = y*P0
13 PF = FC/FT*P
14 k1prime = 0.282*exp(-36785.728/(R*T0))*exp(-36785.728/R*(1/T0-1/T))
15 r1prime = k1prime*P^0.75*yA^0.75/((1+yA^0.75)^0.5)
16 k2prime = 3.001*exp(-66412.632/(R*T0))*exp(-66412.632/R*(1/T0-1/T))
17 rA = -r1prime
18 r2prime = k2prime*PF
19 rB = -1/2*(r1prime+r2prime)
20 rC = r1prime-r2prime
21 difHrxn1 = -158800
22 difHrxn2 = -238200
23 CpA = 67.1608
24 CpB = 32.6077
25 CpC = 47.5222
26 CpD = 36.0637
27 CpE = 30.6431
28 CpI = 30.1962
29 rD = r1prime+r2prime
30 V = 1
31 rE = r2prime
32 Ac = 3.1416*(0.021/2)^2*5000
33 rho0 = 1.3158
34 G = FA0*32/Ac
35 miu = 3.2282e-5
36 beta = G*(1-0.5)/(rho0*1*2.33e-3*0.5^3)*(150*(1-0.5)*miu/2.33e-3+1.75*G)
37 alpha = 2*beta/(Ac*2200*(1-0.5)*(P0*101.325))
General
Total number of equations
44
37
Elapsed time
1.157 sec
31
Solution method
RKF_45
0.000001
0.000001
32